Showing metabocard for vitamin B12 (MMDBc0031755)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:47:56 UTC
Update Date2022-08-31 18:24:23 UTC
MiMeDB IDMMDBc0031755
Metabolite Identification
Common Namevitamin B12
DescriptionVitamin B12 is a cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e13e888>

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3D MOL for #<Metabolite:0x000055b76e13e888>
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3D SDF for #<Metabolite:0x000055b76e13e888>
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3D-SDF for #<Metabolite:0x000055b76e13e888>
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PDB for #<Metabolite:0x000055b76e13e888>
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3D PDB for #<Metabolite:0x000055b76e13e888>
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SMILES for #<Metabolite:0x000055b76e13e888>
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INCHI for #<Metabolite:0x000055b76e13e888>
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SynonymsNot Available
Chemical FormulaC62H88CoN13O14P
Average Molecular Weight1329.3478
Monoisotopic Molecular Weight1328.564331295
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2
InChI KeyNSLAUEAQDBERRV-UHFFFAOYSA-L